Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIFVPNENHDPRINLAIEQYLLQEMPLDEPILLFYINEPSIIIGRNQNTLEEINRDYVEENGIHVVRRLSGGGAVYHDFGNLNFSFIMPDDGDSFRDFAKVTQPIIQALHELGVAGAELKGRNDLVIDGMKFSGNAMYATNGRMFAHGTIMFDSDINEVVNALKVKKDKIESKGIKSIRSRVTNIKPFLPEEKQKMTTEEFRQEILLKIFGVESVEEVKTYELTDEDWKKINRISEEYYRNWDWNYGKSPDFNFSRQKRFSIGSIEVHLNVSEGMIKEAKIFGDFFGLGDISDVEKKLVGQKYDKASLSKIVSQIDVKKYFGAIEPEELLTLLY 5IBY Chain:A ((19-352)) MIFVPNENNDPRVNLAIETYLLTEMPLDEPILLFYINEPSIIIGRNQNTIEEINKEYVDEHGIHVVRRLSGGGAVYHDHGNLNFSFIMPDDGNSFRDFAKVTQPIIQALHDLGVEGAELKGRNDLVINDMKFSGNAMYATNGRMFAHGTLMFDSDIDEVVNTL-----------------RVTNIKPFLSEDKQEMTTEEFRQEILLKIFGVDSIDQVKTYELTDQDWAAINKISEQYYRNWDWNYGKSPAFNLERRHRFPIGSIEMKMNVADGAIQEIKIFGDFFGLGEIKDVEDILTGVKYDKASLEEAIDQIDVKKYFGNIEKEDLLGLIY

General information: TITO was launched using: RESULT: Template: 5IBY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1712 -198259 -115.81 -625.42 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.95 3D Compatibility (PKB) : -115.81 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.95 QMean score : 0.670

(partial model without unconserved sides chains): PDB file : Tito_5IBY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IBY-query.scw PDB file : Tito_Scwrl_5IBY.pdb: